1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one

C17H20N2O — CID 71131089

IUPAC1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one
SMILESCCCC(=O)C1CCc2nc(-c3ccccc3)cn2C1
InChIInChI=1S/C17H20N2O/c1-2-6-16(20)14-9-10-17-18-15(12-19(17)11-14)13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3
InChIKeyALVWRNHAFAEDFZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.48
Rot. Bonds4

About 1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one

1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one (PubChem CID 71131089) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one
PubChem CID71131089
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one
SMILESCCCC(=O)C1CCc2nc(-c3ccccc3)cn2C1
InChIInChI=1S/C17H20N2O/c1-2-6-16(20)14-9-10-17-18-15(12-19(17)11-14)13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3
InChIKeyALVWRNHAFAEDFZ-UHFFFAOYSA-N
XLogP3.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one?
The IUPAC name of 1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one (CID 71131089) is 1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one.
What is the SMILES notation for 1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one?
The canonical SMILES for 1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one is CCCC(=O)C1CCc2nc(-c3ccccc3)cn2C1.
What is the InChIKey of 1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one?
The InChIKey is ALVWRNHAFAEDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-6-16(20)14-9-10-17-18-15(12-19(17)11-14)13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3.
What are the key properties of 1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one?
1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one is sourced from PubChem (CID 71131089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).